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GPCR

NameBeta-2 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB2
Synonymbeta-2 adrenergic receptor
Gpcr7
beta2-adrenoceptor
Adrb-2
ADRB2R
[ Show all ]
DiseasePremature labour
Premature ejaculation
Obesity
Neurogenic bladder dysfunction
Hypertension
[ Show all ]
Length413
Amino acid sequenceMGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProtP07550
Protein Data Bank3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod modelP07550
3D structure modelThis structure is from PDB ID 3nya.
BioLiPBL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target DatabaseT24555, T52522
ChEMBLCHEMBL210
IUPHAR29
DrugBankBE0000694

Ligand

NameCHEMBL604333
Molecular formulaC21H23F3N2O4
IUPAC name6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
Molecular weight424.42
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.7
Synonyms8-{2-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamino]-1-hydroxy-ethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one
SCHEMBL1720822
AOBQGHZAKUAZSB-UHFFFAOYSA-N
BDBM50306807
rac-6-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Inchi KeyAOBQGHZAKUAZSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(6-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
PubChem CID46232856
ChEMBLCHEMBL604333
IUPHARN/A
BindingDB50306807
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC503.4 nMPMID20096576BindingDB,ChEMBL
Intrinsic activity44.0 %PMID20096576ChEMBL

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